Works matching IS 01928651 AND DT 2021 AND VI 42 AND IP 6
Results: 8
Ab initio effective one‐electron potential operators: Applications for charge‐transfer energy in effective fragment potentials.
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- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. 398, doi. 10.1002/jcc.26462
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- Article
PyVisA: Visualization and Analysis of path sampling trajectories.
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- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. 435, doi. 10.1002/jcc.26467
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- Article
A method to apply bond‐angle constraints in molecular dynamics simulations.
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- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. 418, doi. 10.1002/jcc.26466
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- Article
QMCube (QM<sup>3</sup>): An all‐purpose suite for multiscale QM/MM calculations.
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- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. 447, doi. 10.1002/jcc.26465
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- Article
Superposition of waves or densities: Which is the nature of chemical resonance?
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- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. 412, doi. 10.1002/jcc.26463
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- Article
IOData : A python library for reading, writing, and converting computational chemistry file formats and generating input files.
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- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. 458, doi. 10.1002/jcc.26468
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- Article
Issue Information.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. 393, doi. 10.1002/jcc.26246
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- Article
Cover Image.
- Published in:
- Journal of Computational Chemistry, 2021, v. 42, n. 6, p. C1, doi. 10.1002/jcc.26245
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- Article